General Information of the Compound
| Compound ID |
CP0560535
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| Compound Name |
7-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
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| Formula |
C22H18F3N3O2
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| Molecular Weight |
413.399
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| Canonical SMILES |
FC(F)(F)c1cccc(NC(=O)N2CCOc3ccc(cc3C2)-c2ccncc2)c1
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| InChI |
InChI=1S/C22H18F3N3O2/c23-22(24,25)18-2-1-3-19(13-18)27-21(29)28-10-11-30-20-5-4-16(12-17(20)14-28)15-6-8-26-9-7-15/h1-9,12-13H,10-11,14H2,(H,27,29)
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| InChIKey |
FDJUZSJNAVXCHM-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03750, Probable G-protein coupled receptor 142
Protein ID: PT06102, Probable G-protein coupled receptor 142